2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid

C12H15NO4S — CID 82501940

IUPAC2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCc1ccc2c(c1)C(CC(=O)O)CN2S(C)(=O)=O
InChIInChI=1S/C12H15NO4S/c1-8-3-4-11-10(5-8)9(6-12(14)15)7-13(11)18(2,16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyWCIHYHWKDKJEFH-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.33
Rot. Bonds3

About 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid

2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 82501940) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID82501940
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCc1ccc2c(c1)C(CC(=O)O)CN2S(C)(=O)=O
InChIInChI=1S/C12H15NO4S/c1-8-3-4-11-10(5-8)9(6-12(14)15)7-13(11)18(2,16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyWCIHYHWKDKJEFH-UHFFFAOYSA-N
XLogP1.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid (CID 82501940) is 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid is Cc1ccc2c(c1)C(CC(=O)O)CN2S(C)(=O)=O.
What is the InChIKey of 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is WCIHYHWKDKJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-8-3-4-11-10(5-8)9(6-12(14)15)7-13(11)18(2,16)17/h3-5,9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid?
2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 269.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 82501940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).